3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid

C10H11N3O3 — CID 25219578

IUPAC3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1nn(C)cc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-5-7(4-13(3)11-5)9-8(10(14)15)6(2)16-12-9/h4H,1-3H3,(H,14,15)
InChIKeyUHDVDKQSBPUIIS-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.39
Rot. Bonds2

About 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid

3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 25219578) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID25219578
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1nn(C)cc1-c1noc(C)c1C(=O)O
InChIInChI=1S/C10H11N3O3/c1-5-7(4-13(3)11-5)9-8(10(14)15)6(2)16-12-9/h4H,1-3H3,(H,14,15)
InChIKeyUHDVDKQSBPUIIS-UHFFFAOYSA-N
XLogP1.39
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 25219578) is 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1nn(C)cc1-c1noc(C)c1C(=O)O.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is UHDVDKQSBPUIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5-7(4-13(3)11-5)9-8(10(14)15)6(2)16-12-9/h4H,1-3H3,(H,14,15).
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 25219578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).